UCSF

ZINC21645731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 10.24 -22.91 0 8 0 67 434.544 5
Mid Mid (pH 6-8) 1.07 12.63 -61.88 1 8 1 68 435.552 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )